N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide

C16H14FNO3 — CID 34256707

IUPACN-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](O)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO3/c1-10-2-4-12(5-3-10)15(20)18-16(21)14(19)11-6-8-13(17)9-7-11/h2-9,16,21H,1H3,(H,18,20)/t16-/m1/s1
InChIKeyNYKNOGIPURSVEW-MRXNPFEDSA-N
MW287.29 g/mol
LogP2.07
Rot. Bonds4

About N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide

N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide (PubChem CID 34256707) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
PubChem CID34256707
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](O)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO3/c1-10-2-4-12(5-3-10)15(20)18-16(21)14(19)11-6-8-13(17)9-7-11/h2-9,16,21H,1H3,(H,18,20)/t16-/m1/s1
InChIKeyNYKNOGIPURSVEW-MRXNPFEDSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
CID 122388095
3-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 132893045
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide
CID 11199940

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide (CID 34256707) is N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](O)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide?
The InChIKey is NYKNOGIPURSVEW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-2-4-12(5-3-10)15(20)18-16(21)14(19)11-6-8-13(17)9-7-11/h2-9,16,21H,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide?
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 34256707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).